Benzo[e]pyrazolo[5,1-c][1,2,4]triazine 4-oxide | 209745-72-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: Benzo[e]pyrazolo[5,1-c][1,2,4]triazine 4-oxide
• 英文别名: 4-Oxidopyrazolo[5,1-c][1,2,4]benzotriazin-4-ium
• CAS: 209745-72-2
• 化学式: C₉H₆N₄O
• 分子量: 186.173
• InChiKey: TZIWCMFQAWIQRL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  55.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Benzo[e]pyrazolo[5,1-c][1,2,4]triazine 4-oxide 在 溴 、 silver(I) acetate 作用下， 以 氯仿 为溶剂， 以48%的产率得到3-Bromo-benzo[e]pyrazolo[5,1-c][1,2,4]triazine 4-oxide
  参考文献：
  名称：

  Benzodiazepine receptor ligands — Part II. Synthesis and biological evaluation of pyrazolo[5,1-c][1,2,4]benzotriazine 4-oxide

  摘要：

  A new series of 3-, 8-substituted pyrazolo[5,1-c][1,2,4]benzotriazine 4-oxides 3 were synthesized and their benzodiazepine receptor (BZR) affinities were evaluated in vitro in comparison with their 5-oxide isomers 2. The 4-oxide compounds 3c,m,n,o showed a better receptor affinity than their corresponding 5-oxide isomers, with an efficacy trend of antagonist/partial inverse agonist. From a structure-affinity relationship point of view some insight in the role played by N-4 and Id-oxide is gained. (C) Elsevier, Paris.

  DOI：

  10.1016/s0223-5234(98)80013-5
• 作为产物：
  描述：

  pyrazolo[5,1-c][1,2,4]benzotriazine 在 双氧水 作用下， 以 乙酸酐 、 溶剂黄146 为溶剂， 以58%的产率得到3-羟基-1,2,4-苯并三嗪1-氧化物
  参考文献：
  名称：

  Benzodiazepine receptor ligands — Part II. Synthesis and biological evaluation of pyrazolo[5,1-c][1,2,4]benzotriazine 4-oxide

  摘要：

  A new series of 3-, 8-substituted pyrazolo[5,1-c][1,2,4]benzotriazine 4-oxides 3 were synthesized and their benzodiazepine receptor (BZR) affinities were evaluated in vitro in comparison with their 5-oxide isomers 2. The 4-oxide compounds 3c,m,n,o showed a better receptor affinity than their corresponding 5-oxide isomers, with an efficacy trend of antagonist/partial inverse agonist. From a structure-affinity relationship point of view some insight in the role played by N-4 and Id-oxide is gained. (C) Elsevier, Paris.

  DOI：

  10.1016/s0223-5234(98)80013-5

文献信息

• Benzodiazepine receptor ligands — Part II. Synthesis and biological evaluation of pyrazolo[5,1-c][1,2,4]benzotriazine 4-oxide
  作者：Annarella Costanzo、Gabriella Guerrini、Fabrizio Bruni、Giovanna Ciciani、Silvia Selleri、Silvia Cappelletti、Barbara Costa、Claudia Martini、Antonio Lucacchini

  DOI：10.1016/s0223-5234(98)80013-5

  日期：1998.3

  A new series of 3-, 8-substituted pyrazolo[5,1-c][1,2,4]benzotriazine 4-oxides 3 were synthesized and their benzodiazepine receptor (BZR) affinities were evaluated in vitro in comparison with their 5-oxide isomers 2. The 4-oxide compounds 3c,m,n,o showed a better receptor affinity than their corresponding 5-oxide isomers, with an efficacy trend of antagonist/partial inverse agonist. From a structure-affinity relationship point of view some insight in the role played by N-4 and Id-oxide is gained. (C) Elsevier, Paris.